ethyl 4-(4-anilinophenyl)but-3-enoate

C18H19NO2 — CID 170797083

IUPACethyl 4-(4-anilinophenyl)but-3-enoate
SMILESCCOC(=O)CC=Cc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-2-21-18(20)10-6-7-15-11-13-17(14-12-15)19-16-8-4-3-5-9-16/h3-9,11-14,19H,2,10H2,1H3
InChIKeyWVDQZLUKDZHCDU-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.40
Rot. Bonds6

About ethyl 4-(4-anilinophenyl)but-3-enoate

ethyl 4-(4-anilinophenyl)but-3-enoate (PubChem CID 170797083) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 4-(4-anilinophenyl)but-3-enoate.

Molecular Properties

Compound Nameethyl 4-(4-anilinophenyl)but-3-enoate
PubChem CID170797083
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Nameethyl 4-(4-anilinophenyl)but-3-enoate
SMILESCCOC(=O)CC=Cc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-2-21-18(20)10-6-7-15-11-13-17(14-12-15)19-16-8-4-3-5-9-16/h3-9,11-14,19H,2,10H2,1H3
InChIKeyWVDQZLUKDZHCDU-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-acetamidophenyl)but-3-enoate
CID 170796600
(E)-3-[4-(4-ethoxy-4-oxobut-1-enyl)phenyl]prop-2-enoic acid
CID 170796667
ethyl 4-(4-sulfanylphenyl)but-3-enoate
CID 170795544
ethyl 4-(4-ethylphenyl)but-3-enoate
CID 170795670
ethyl 4-[4-(3-chloropropanoylamino)phenyl]but-3-enoate
CID 170797033
diethyl oxalate;N-phenylaniline
CID 174415380
3-[4-(4-ethoxy-4-oxobut-1-enyl)phenyl]propanoic acid
CID 170796668
butyl 4-phenylbut-3-enoate
CID 575894
ethyl 4-[4-(2-aminoethyl)phenyl]but-3-enoate
CID 170796162
ethyl 4-(2-methylphenyl)but-3-enoate
CID 86054840
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate
CID 101441140

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-anilinophenyl)but-3-enoate?
The IUPAC name of ethyl 4-(4-anilinophenyl)but-3-enoate (CID 170797083) is ethyl 4-(4-anilinophenyl)but-3-enoate.
What is the SMILES notation for ethyl 4-(4-anilinophenyl)but-3-enoate?
The canonical SMILES for ethyl 4-(4-anilinophenyl)but-3-enoate is CCOC(=O)CC=Cc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of ethyl 4-(4-anilinophenyl)but-3-enoate?
The InChIKey is WVDQZLUKDZHCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-21-18(20)10-6-7-15-11-13-17(14-12-15)19-16-8-4-3-5-9-16/h3-9,11-14,19H,2,10H2,1H3.
What are the key properties of ethyl 4-(4-anilinophenyl)but-3-enoate?
ethyl 4-(4-anilinophenyl)but-3-enoate has a molecular weight of 281.36 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-anilinophenyl)but-3-enoate is sourced from PubChem (CID 170797083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).